MolNFT v1 · #24612 · protein
Udp-galactopyranose mutase from mycobacterium tuberculosis
1V0J: “Udp-galactopyranose mutase from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (FAD, BCN), 12 pockets (best druggability 0.80). MolNFT v1 #24612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1V0J
- Type
- protein
- Length
- 1,552 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-galactopyranose mutase
- EC
- 5.4.99.9
- UniProt
- O06934
- Ligands
- FAD, BCN
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Udp-galactopyranose mutase (EC 5.4.99.9) | protein | 388 | 38% helix, 19% strand | O06934 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- BCN · Bicine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.80 | 0.81 | 100 | FAD |
| 2 | 1126 | 0.80 | 0.81 | 96 | FAD |
| 3 | 1087 | 0.80 | 0.81 | 100 | FAD |
| 4 | 1186 | 0.80 | 0.81 | 99 | FAD |
| 5 | 757 | 0.73 | 0.79 | 70 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1112 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 1101 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1V0J · Udp-galactopyranose mutase from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O06934
- Elsewhere: RCSB PDB 1V0J · PDBe 1V0J · UniProt O06934
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